SCHEMBL12534734

SCHEMBL12534734

[C-]#[N+]C1CCCN(c2nc(C)nc3c2c(C)cn3-c2c(C)cc(Br)cc2C)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.32
FPR3 P25089 2/20 0.32
TSPO P30536 2/20 0.32
TMEM97 Q5BJF2 2/20 0.32
LRRK2 Q5S007 2/20 0.32
MAP2K7 O14733 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12534820 0.94 CRHR1 (0.33) CRHR1FPR3TSPOTMEM97
SCHEMBL12534825 0.92 CRHR1 (0.33) CRHR1FPR3TSPOTMEM97
SCHEMBL12534724 0.92 CRHR1 (0.39) CRHR1FPR3TSPOTMEM97LRRK2
SCHEMBL12534748 0.90 LRRK2 (0.32) CRHR1FPR3TSPOTMEM97LRRK2
SCHEMBL12534767 0.88 CRHR1 (0.35) CRHR1FPR3TSPOTMEM97
SCHEMBL12534964 0.84 CRHR1 (0.32) CRHR1
SCHEMBL12534758 0.84 FPR3 (0.32) CRHR1FPR3TSPOTMEM97MAP2K7
SCHEMBL12534731 0.83 CRHR1 (0.50) CRHR1LRRK2MAP2K7
SCHEMBL1637789 0.82 CHRM3 (0.34) CRHR1FPR3TSPOTMEM97MAP2K7
SCHEMBL1636778 0.82 KHK (0.42) CRHR1FPR3TSPOTMEM97MAP2K7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group HRH2, HRH4, CRHR1 CRHR1 3/4885FPR3 157/4885TSPO 2034/4885
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 CRHR1 3/4885FPR3 171/4885TSPO 1859/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.